SCHEMBL29922815

SCHEMBL29922815

COC(=O)c1nnc(Cl)cc1Nc1ccc(C(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ ATR Q13535 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ GABRG2 P18507 10/20 0.37
▸ GABRB3 P28472 10/20 0.37
▸ GABRA5 P31644 9/20 0.37
▸ GABRA1 P14867 9/20 0.37
▸ GABRA2 P47869 9/20 0.37
▸ GABRA3 P34903 8/20 0.37
▸ GABRA6 Q16445 7/20 0.37
▸ GABRA4 P48169 5/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28359212 1.00 SYK (0.40) SYKATREPHX2GABRG2GABRB3
SCHEMBL29551926 0.91 SYK (0.40) SYKATREPHX2GABRG2GABRB3
SCHEMBL29922602 0.84 SYK (0.43) SYKKMT2AMAPK1MEN1USP2
SCHEMBL28362546 0.84 SYK (0.43) SYKKMT2AMAPK1MEN1USP2
SCHEMBL28359299 0.82 DHODH (0.44) EPHX2GABRG2GABRB3GABRA5GABRA1
SCHEMBL29922511 0.82 DHODH (0.44) EPHX2GABRG2GABRB3GABRA5GABRA1
SCHEMBL28359014 0.79 SYK (0.41) SYKATRKMT2AMAPK1LMNA
SCHEMBL29922810 0.79 ABCB1 (0.45) SYKKMT2AMAPK1MEN1LMNA
SCHEMBL29551791 0.79 SYK (0.41) SYKATRKMT2AMAPK1LMNA
SCHEMBL29922622 0.79 SYK (0.43) SYKKMT2AMAPK1MEN1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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